3,4-diethoxy-N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]benzamide

C18H23N3O4 — CID 121121042

IUPAC3,4-diethoxy-N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]benzamide
SMILESCCOc1ccc(C(=O)NCCn2cncc(C)c2=O)cc1OCC
InChIInChI=1S/C18H23N3O4/c1-4-24-15-7-6-14(10-16(15)25-5-2)17(22)20-8-9-21-12-19-11-13(3)18(21)23/h6-7,10-12H,4-5,8-9H2,1-3H3,(H,20,22)
InChIKeyRXCXNGYXZFJXMA-UHFFFAOYSA-N
MW345.40 g/mol
LogP1.78
Rot. Bonds8

About 3,4-diethoxy-N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]benzamide

3,4-diethoxy-N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]benzamide (PubChem CID 121121042) has the molecular formula C18H23N3O4 and a molecular weight of 345.40 g/mol. Its IUPAC name is 3,4-diethoxy-N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]benzamide.

Molecular Properties

Compound Name3,4-diethoxy-N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]benzamide
PubChem CID121121042
Molecular FormulaC18H23N3O4
Molecular Weight345.40 g/mol
Exact Mass345.17
IUPAC Name3,4-diethoxy-N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]benzamide
SMILESCCOc1ccc(C(=O)NCCn2cncc(C)c2=O)cc1OCC
InChIInChI=1S/C18H23N3O4/c1-4-24-15-7-6-14(10-16(15)25-5-2)17(22)20-8-9-21-12-19-11-13(3)18(21)23/h6-7,10-12H,4-5,8-9H2,1-3H3,(H,20,22)
InChIKeyRXCXNGYXZFJXMA-UHFFFAOYSA-N
XLogP1.78
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-methyl-N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]benzamide
CID 121121030
2-(4-ethoxyphenyl)-N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]acetamide
CID 121121023
N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]-4-nitrobenzamide
CID 121121235
2-(4-ethoxyphenoxy)-N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]acetamide
CID 121121100
2,5-dimethoxy-N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]benzamide
CID 121121150
3-methoxy-2-methyl-N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]indazole-6-carboxamide
CID 121121318
N-[2-[2-(5-methyl-6-oxopyrimidin-1-yl)ethylamino]-2-oxoethyl]benzamide
CID 121121115
3,4-diethoxy-N-[3-(3-methylpyrazol-1-yl)propyl]benzamide
CID 19297941
2-fluoro-N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]benzamide
CID 121121043
N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]-1,2-oxazole-5-carboxamide
CID 121121180
N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]thiophene-2-carboxamide
CID 121121088
3,4-diethoxy-N-[2-[5-[(4-fluorophenyl)methyl]-4-oxopyrazolo[5,4-d]pyrimidin-1-yl]ethyl]benzamide
CID 42391432

Frequently Asked Questions

What is the IUPAC name of 3,4-diethoxy-N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]benzamide?
The IUPAC name of 3,4-diethoxy-N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]benzamide (CID 121121042) is 3,4-diethoxy-N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]benzamide.
What is the SMILES notation for 3,4-diethoxy-N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]benzamide?
The canonical SMILES for 3,4-diethoxy-N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]benzamide is CCOc1ccc(C(=O)NCCn2cncc(C)c2=O)cc1OCC.
What is the InChIKey of 3,4-diethoxy-N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]benzamide?
The InChIKey is RXCXNGYXZFJXMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O4/c1-4-24-15-7-6-14(10-16(15)25-5-2)17(22)20-8-9-21-12-19-11-13(3)18(21)23/h6-7,10-12H,4-5,8-9H2,1-3H3,(H,20,22).
What are the key properties of 3,4-diethoxy-N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]benzamide?
3,4-diethoxy-N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]benzamide has a molecular weight of 345.40 g/mol, XLogP of 1.78, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-diethoxy-N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]benzamide is sourced from PubChem (CID 121121042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).